Phosphorodithioic acid, O,O-diethyl S-((ethylsulfinyl)methyl) ester

Base Information

• Chemical Name: Phosphorodithioic acid, O,O-diethyl S-((ethylsulfinyl)methyl) ester
• CAS No.: 2588-03-6
• Molecular Formula: C₇H₁₇O₃PS₃
• Molecular Weight: 276.382
• European Community (EC) Number: 634-799-8
• DSSTox Substance ID: DTXSID1042283
• Nikkaji Number: J7.619H
• Mol file: 2588-03-6.mol

Synonyms:phorate sulfoxide

Chemical Property of Phosphorodithioic acid, O,O-diethyl S-((ethylsulfinyl)methyl) ester

Chemical Property:

• Vapor Pressure: 1.05E-05mmHg at 25°C
• Refractive Index: 1.5443 (20℃)
• Boiling Point: 382.3°C at 760 mmHg
• Flash Point: 185°C
• PSA: 121.94000
• Density: 1.301g/cm³
• LogP: 4.25950
• Storage Temp.: 2-8°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 276.00774492
• Heavy Atom Count: 14
• Complexity: 212

Purity/Quality:

PhorateSulfoxide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T+
• Statements: 28
• Safety Statements: 28-36/37-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOP(=S)(OCC)SCS(=O)CC

Technology Process of Phosphorodithioic acid, O,O-diethyl S-((ethylsulfinyl)methyl) ester

There total 3 articles about Phosphorodithioic acid, O,O-diethyl S-((ethylsulfinyl)methyl) ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 82.0%

Phorate (298-02-2) → phorate sulphoxide (2588-03-6,113418-09-0,113449-79-9)

Guidance literature:

With dihydrogen peroxide; vanadia; In tert-butyl alcohol; at 20 - 30 ℃;

DOI:10.1007/BF00953168

Reference yield: 45.0%

Phorate (298-02-2) → phorate sulphoxide (2588-03-6,113418-09-0,113449-79-9) + phorate sulphone (2588-04-7)

Guidance literature:

With dihydrogen peroxide; vanadia; In tert-butyl alcohol; Yields of byproduct given; 1.) 20 - 30 deg C, 2.) 40 deg C;

DOI:10.1007/BF00953168

Reference yield:

Phorate (298-02-2) → phorate oxon (2600-69-3) + phorate sulphoxide (2588-03-6,113418-09-0,113449-79-9) + phorate sulphone (2588-04-7) + phosphonic acid diethyl ester (762-04-9)

Guidance literature:

In methanol; for 15h; Kinetics; Photolysis;

DOI:10.1080/02772249409357980

upstream raw materials:

Phorate

Refernces

• 1、 Mastryukova, T. A.,Zhdanova, G. V.,Shipov, A. E.,Kabachnik, A. E.. "CONVENIENT METHOD FOR THE SELECTIVE OXIDATION OF SULFIDE SULFURE IN ALKYLMERCAPTOALKYL ESTERS OF THIO- AND DITHIOACIDS OF PHOSPHORUS". . p. 1255 - 1260. Retrieved 2007/10/02.